4-[1-[6-(dimethylamino)-3-pyridinyl]imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one

C21H22N6O — CID 138383492

IUPAC4-[1-[6-(dimethylamino)-3-pyridinyl]imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(-c2nccn2-c2ccc(N(C)C)nc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H22N6O/c1-15-19(21(28)27(25(15)4)16-8-6-5-7-9-16)20-22-12-13-26(20)17-10-11-18(23-14-17)24(2)3/h5-14H,1-4H3
InChIKeyLRNFQUISMRSROR-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.80
Rot. Bonds4

About 4-[1-[6-(dimethylamino)-3-pyridinyl]imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[1-[6-(dimethylamino)-3-pyridinyl]imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 138383492) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-[1-[6-(dimethylamino)-3-pyridinyl]imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[1-[6-(dimethylamino)-3-pyridinyl]imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID138383492
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name4-[1-[6-(dimethylamino)-3-pyridinyl]imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(-c2nccn2-c2ccc(N(C)C)nc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H22N6O/c1-15-19(21(28)27(25(15)4)16-8-6-5-7-9-16)20-22-12-13-26(20)17-10-11-18(23-14-17)24(2)3/h5-14H,1-4H3
InChIKeyLRNFQUISMRSROR-UHFFFAOYSA-N
XLogP2.80
TPSA60.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-(dimethylamino)-3-pyridinyl]imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[1-[6-(dimethylamino)-3-pyridinyl]imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 138383492) is 4-[1-[6-(dimethylamino)-3-pyridinyl]imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[1-[6-(dimethylamino)-3-pyridinyl]imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[1-[6-(dimethylamino)-3-pyridinyl]imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(-c2nccn2-c2ccc(N(C)C)nc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[1-[6-(dimethylamino)-3-pyridinyl]imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is LRNFQUISMRSROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-15-19(21(28)27(25(15)4)16-8-6-5-7-9-16)20-22-12-13-26(20)17-10-11-18(23-14-17)24(2)3/h5-14H,1-4H3.
What are the key properties of 4-[1-[6-(dimethylamino)-3-pyridinyl]imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[1-[6-(dimethylamino)-3-pyridinyl]imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 374.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-(dimethylamino)-3-pyridinyl]imidazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 138383492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).